(2R,3R,4Bs,6As,9S,9Ar,15Bs,15Cr,17As)-2-Isopropenyl-10,10,12,12,15B,15C-Hexamethyl-2,3,5,6,6A,7,9,9A,10,12,15,15B,15C,16,17,17A-Hexadecahydro-4Bh-Chromeno[5',6':6,7]Indeno[1,2-B]Pyrano[4',3':3,4]Cyclopenta[1,2-F]Indole-3,4B,9-Triol

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Formula C37H47NO5
IUPAC Name (2r,3r,4bs,6as,9s,9ar,15bs,15cr,17as)-2-isopropenyl-10,10,12,12,15b,15c-hexamethyl-2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-4bh-chromeno[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopenta[1,2-f]indole-3,4b,9-triol
Molecular Mass 585.773 g·mol−1
Heat of Formation -769.9 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 711.74 Å 3
Surface Area 545.5 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-10,10,12,12,15b,15c-hexamethyl-2-(1-methylethenyl)-4bh-1-benzopyrano(5',6':6,7)indeno(1,2-b)pyrano(4',3':3,4)cyclopent(1,2-f)indole-3,4b,9-triol
  • 4bh-1-benzopyrano(5',6':6,7)indeno(1,2-b)pyrano(4',3':3,4)cyclopent(1,2-f)indole-3,4b,9-triol, 2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-10,10,12,12,15b,15c-hexamethyl-2-(1-methylethenyl)-
  • janthitrem b
CAS Number(s)
  • 73561-90-7
InChIKey FYYNBFCZCKFSKS-QSDHUPEDSA-N
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